[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate

C22H19ClN2O3 — CID 7867629

IUPAC[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1cccnc1Cl)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15(28-22(27)18-13-8-14-24-20(18)23)21(26)25-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,19H,1H3,(H,25,26)/t15-/m1/s1
InChIKeyWITDYFSZXARPGB-OAHLLOKOSA-N
MW394.86 g/mol
LogP4.19
Rot. Bonds6

About [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate

[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate (PubChem CID 7867629) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
PubChem CID7867629
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1cccnc1Cl)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15(28-22(27)18-13-8-14-24-20(18)23)21(26)25-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,19H,1H3,(H,25,26)/t15-/m1/s1
InChIKeyWITDYFSZXARPGB-OAHLLOKOSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
CID 2358707
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927150
[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
CID 23999720
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
CID 2515263
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602871
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820601
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 24531329
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
CID 7867579
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7554365
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 7867520
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
CID 4803801

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate (CID 7867629) is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate is C[C@@H](OC(=O)c1cccnc1Cl)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate?
The InChIKey is WITDYFSZXARPGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15(28-22(27)18-13-8-14-24-20(18)23)21(26)25-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,19H,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate?
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate has a molecular weight of 394.86 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 7867629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).